tert-butyl N-[2-[3-(5-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]carbamate

C17H21N3O4 — CID 56784550

IUPACtert-butyl N-[2-[3-(5-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]carbamate
SMILESCc1cnc(-c2cccc(NC(=O)CNC(=O)OC(C)(C)C)c2)o1
InChIInChI=1S/C17H21N3O4/c1-11-9-18-15(23-11)12-6-5-7-13(8-12)20-14(21)10-19-16(22)24-17(2,3)4/h5-9H,10H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyVLGNKJXDSPWKRO-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.11
Rot. Bonds4

About tert-butyl N-[2-[3-(5-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]carbamate

tert-butyl N-[2-[3-(5-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]carbamate (PubChem CID 56784550) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(5-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(5-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]carbamate
PubChem CID56784550
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Nametert-butyl N-[2-[3-(5-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]carbamate
SMILESCc1cnc(-c2cccc(NC(=O)CNC(=O)OC(C)(C)C)c2)o1
InChIInChI=1S/C17H21N3O4/c1-11-9-18-15(23-11)12-6-5-7-13(8-12)20-14(21)10-19-16(22)24-17(2,3)4/h5-9H,10H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyVLGNKJXDSPWKRO-UHFFFAOYSA-N
XLogP3.11
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[3-(5-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylprop-2-enyl)urea
CID 86817334
tert-butyl N-[2-(3-ethynylanilino)-2-oxoethyl]carbamate
CID 47451721
tert-butyl N-[2-oxo-2-[3-(pentanoylamino)anilino]ethyl]carbamate
CID 108917175
1-(1-hydroxy-4-methylpentan-2-yl)-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
CID 111424928
tert-butyl N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917170
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
CID 71870299
tert-butyl N-[2-[3-[(2,2-dimethylpropanoylamino)methyl]anilino]-2-oxoethyl]carbamate
CID 108918539
tert-butyl N-[2-[3-[[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]methyl]anilino]-2-oxoethyl]carbamate
CID 67453314
tert-butyl N-[2-[3-[[2-(2-ethoxyphenoxy)acetyl]amino]anilino]-2-oxoethyl]carbamate
CID 108917139
tert-butyl N-[2-[3-[(4-bromobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917109
tert-butyl N-[2-[3-[[(E)-4-methylpent-2-enoyl]amino]anilino]-2-oxoethyl]carbamate
CID 108917267
tert-butyl N-[2-oxo-2-[3-[[(2-phenylacetyl)amino]methyl]anilino]ethyl]carbamate
CID 108918347

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(5-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(5-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]carbamate (CID 56784550) is tert-butyl N-[2-[3-(5-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(5-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(5-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]carbamate is Cc1cnc(-c2cccc(NC(=O)CNC(=O)OC(C)(C)C)c2)o1.
What is the InChIKey of tert-butyl N-[2-[3-(5-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]carbamate?
The InChIKey is VLGNKJXDSPWKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11-9-18-15(23-11)12-6-5-7-13(8-12)20-14(21)10-19-16(22)24-17(2,3)4/h5-9H,10H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of tert-butyl N-[2-[3-(5-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[3-(5-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]carbamate has a molecular weight of 331.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(5-methyl-1,3-oxazol-2-yl)anilino]-2-oxoethyl]carbamate is sourced from PubChem (CID 56784550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).